Vitas-M small molecule compound
(2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enenitrile
Catalog ID
STL168266
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)F)C)/C(=O)N1CCc2c(C1)cccc2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C25H22FN3O MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22FN3O/c1-17-13-21(18(2)29(17)24-9-7-23(26)8-10-24)14-22(15-27)25(30)28-12-11-19-5-3-4-6-20(19)16-28/h3-10,13-14H,11-12,16H2,1-2H3/b22-14+InChIKey
WMUPOEANBHSABT-HYARGMPZSA-NSynonyms
(2E)2(34dihydroisoquinolin2(1H)ylcarbonyl)3(1(4fluorophenyl)25dimethyl1Hpyrrol3yl)prop2enenitrile
(E)2(34dihydro1Hisoquinoline2carbonyl)3(1(4fluorophenyl)25dimethylpyrrol3yl)prop2enenitrile
CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=C(C#N)C(=O)N3CCC4=CC=CC=C4C3
InChI=1SC25H22FN3Oc1171321(18(2)29(17)249723(26)81024)1422(1527)25(30)28121119534620(19)1628h3101314H111216H212H3b2214+
MFCD02819920
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)F)C)C(=O)N1CCc2c(C1)cccc2
ZINC000002759641
ZINC2759641
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